A1AVA
Summary
| Name: | 2-acetamido-2,3-dideoxy-D-ribo-hexitol |
| Formula: | C8 H17 N O5 |
| Formal charge: | 0 |
| Formula weight: | 207.224 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-acetamido-2,3-dideoxy-D-ribo-hexitol |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(2~{R},4~{S},5~{R})-1,4,5,6-tetrakis(oxidanyl)hexan-2-yl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC(CC(NC(C)=O)CO)C(O)CO |
| InChI | InChI | 1.06 | InChI=1S/C8H17NO5/c1-5(12)9-6(3-10)2-7(13)8(14)4-11/h6-8,10-11,13-14H,2-4H2,1H3,(H,9,12)/t6-,7+,8-/m1/s1 |
| InChIKey | InChI | 1.06 | LGGVICIJYZNZDM-GJMOJQLCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N[C@@H](CO)C[C@H](O)[C@H](O)CO |
| SMILES | CACTVS | 3.385 | CC(=O)N[CH](CO)C[CH](O)[CH](O)CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)N[C@H](C[C@@H]([C@@H](CO)O)O)CO |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)NC(CC(C(CO)O)O)CO |
